⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11460717 | 0.74 | — | — | |
| SCHEMBL8007927 | 0.70 | — | — | |
| SCHEMBL4444127 | 0.70 | — | — | |
| SCHEMBL10637978 | 0.70 | — | — | |
| SCHEMBL10363294 | 0.69 | MEN1 (0.41) | — | |
| SCHEMBL11601515 | 0.69 | MAPK8 (0.39) | — | |
| SCHEMBL11655340 | 0.67 | MEN1 (0.35) | — | |
| SCHEMBL3881374 | 0.65 | LTB4R (0.42) | — | |
| SCHEMBL8834141 | 0.65 | — | — | |
| SCHEMBL1101287 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4051126-A | HALOGENATION, ALKOXYLATION | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) | 1977-09-27 | — | — | US | disclosed |
| US-4008228-A | Process for preparing 3-methyl-3-cephem antibiotics | ELI LILLY AND COMPANY (US) | 1977-02-15 | — | — | US | disclosed |
| US-3933806-A | Cephalosporin michael adducts | ELI LILLY AND COMPANY (US) | 1976-01-20 | — | — | US | disclosed |